N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

C14H25N3 — CID 57014066

IUPACN-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCNCCCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C14H25N3/c1-14(8-4-10-16-14)17-11-6-13(7-12-17)5-3-9-15-2/h4,8,10,13,15H,3,5-7,9,11-12H2,1-2H3
InChIKeyZEAXYDJBLHWTGA-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (PubChem CID 57014066) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
PubChem CID57014066
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCNCCCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C14H25N3/c1-14(8-4-10-16-14)17-11-6-13(7-12-17)5-3-9-15-2/h4,8,10,13,15H,3,5-7,9,11-12H2,1-2H3
InChIKeyZEAXYDJBLHWTGA-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997392
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
N-ethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57010683
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
2-[1-(2-Ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57032140
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylpropan-1-amine
CID 57034237
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 57046378

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (CID 57014066) is N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is CNCCCC1CCN(C2(C)C=CC=N2)CC1.
What is the InChIKey of N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is ZEAXYDJBLHWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(8-4-10-16-14)17-11-6-13(7-12-17)5-3-9-15-2/h4,8,10,13,15H,3,5-7,9,11-12H2,1-2H3.
What are the key properties of N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 57014066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).